[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium

C23H26N3OS2+ — CID 8645797

IUPAC[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
SMILESC[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)NCCc1cccs1
InChIInChI=1S/C23H25N3OS2/c1-16(23(27)24-11-10-17-6-4-12-28-17)25-15-20(22-9-5-13-29-22)19-14-26-21-8-3-2-7-18(19)21/h2-9,12-14,16,20,25-26H,10-11,15H2,1H3,(H,24,27)/p+1/t16-,20-/m0/s1
InChIKeyVSPYWQOTFUSJDO-JXFKEZNVSA-O
MW424.62 g/mol
LogP3.73
Rot. Bonds9

About [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium

[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium (PubChem CID 8645797) has the molecular formula C23H26N3OS2+ and a molecular weight of 424.62 g/mol. Its IUPAC name is [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
PubChem CID8645797
Molecular FormulaC23H26N3OS2+
Molecular Weight424.62 g/mol
Exact Mass424.15
IUPAC Name[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
SMILESC[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)NCCc1cccs1
InChIInChI=1S/C23H25N3OS2/c1-16(23(27)24-11-10-17-6-4-12-28-17)25-15-20(22-9-5-13-29-22)19-14-26-21-8-3-2-7-18(19)21/h2-9,12-14,16,20,25-26H,10-11,15H2,1H3,(H,24,27)/p+1/t16-,20-/m0/s1
InChIKeyVSPYWQOTFUSJDO-JXFKEZNVSA-O
XLogP3.73
TPSA61.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.62
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645405
[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 8645400
[(2S)-1-amino-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645734
(2S)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-N-(2-thiophen-2-ylethyl)propanamide
CID 8645798
[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645699
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645728
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645722
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 8645786
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
The IUPAC name of [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium (CID 8645797) is [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium.
What is the SMILES notation for [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
The canonical SMILES for [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium is C[C@H]([NH2+]C[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)NCCc1cccs1.
What is the InChIKey of [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
The InChIKey is VSPYWQOTFUSJDO-JXFKEZNVSA-O. The full InChI is InChI=1S/C23H25N3OS2/c1-16(23(27)24-11-10-17-6-4-12-28-17)25-15-20(22-9-5-13-29-22)19-14-26-21-8-3-2-7-18(19)21/h2-9,12-14,16,20,25-26H,10-11,15H2,1H3,(H,24,27)/p+1/t16-,20-/m0/s1.
What are the key properties of [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium?
[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium has a molecular weight of 424.62 g/mol, XLogP of 3.73, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium is sourced from PubChem (CID 8645797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).